2-methyl-1-propylimidazol-4-amine

C7H13N3 — CID 96637333

IUPAC2-methyl-1-propylimidazol-4-amine
SMILESCCCn1cc(N)nc1C
InChIInChI=1S/C7H13N3/c1-3-4-10-5-7(8)9-6(10)2/h5H,3-4,8H2,1-2H3
InChIKeyWHUPVCKIVZZHLG-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds2

About 2-methyl-1-propylimidazol-4-amine

2-methyl-1-propylimidazol-4-amine (PubChem CID 96637333) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-methyl-1-propylimidazol-4-amine.

Molecular Properties

Compound Name2-methyl-1-propylimidazol-4-amine
PubChem CID96637333
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-methyl-1-propylimidazol-4-amine
SMILESCCCn1cc(N)nc1C
InChIInChI=1S/C7H13N3/c1-3-4-10-5-7(8)9-6(10)2/h5H,3-4,8H2,1-2H3
InChIKeyWHUPVCKIVZZHLG-UHFFFAOYSA-N
XLogP1.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-2-methylimidazol-4-amine
CID 140552269
2-methyl-4-propan-2-yl-1-propylimidazole
CID 58592748
1-butyl-2,4-dimethylimidazole
CID 69009415
2,4-dimethyl-1-pentylimidazole
CID 134592157
N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide
CID 64591736
N-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62061953
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365860
N-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 63062952
N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365923
4-chloro-1-hexyl-2-methylimidazole
CID 56634054
N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 55030774
N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62062481

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propylimidazol-4-amine?
The IUPAC name of 2-methyl-1-propylimidazol-4-amine (CID 96637333) is 2-methyl-1-propylimidazol-4-amine.
What is the SMILES notation for 2-methyl-1-propylimidazol-4-amine?
The canonical SMILES for 2-methyl-1-propylimidazol-4-amine is CCCn1cc(N)nc1C.
What is the InChIKey of 2-methyl-1-propylimidazol-4-amine?
The InChIKey is WHUPVCKIVZZHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-4-10-5-7(8)9-6(10)2/h5H,3-4,8H2,1-2H3.
What are the key properties of 2-methyl-1-propylimidazol-4-amine?
2-methyl-1-propylimidazol-4-amine has a molecular weight of 139.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propylimidazol-4-amine is sourced from PubChem (CID 96637333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).